CID 67418341

2-(2,3-dihydro-1h-inden-1-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CC2=CC=CC=C2C1CCS(=O)(=O)N
InChI
InChI=1S/C11H15NO2S/c12-15(13,14)8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2,(H2,12,13,14)
InChIKey
ZSFJCCBRANSLIL-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.08235 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 148.8
[M+Na]+ 248.07157 156.9
[M-H]- 224.07507 152.9
[M+NH4]+ 243.11617 170.1
[M+K]+ 264.04551 153.2
[M+H-H2O]+ 208.07961 143.8
[M+HCOO]- 270.08055 166.4
[M+CH3COO]- 284.09620 187.0
[M+Na-2H]- 246.05702 152.4
[M]+ 225.08180 149.7
[M]- 225.08290 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe